CID 140875355

C36H40N — CID 140875355

IUPAC—
SMILESCc1cc(C)c([C]2c3ccc(C(C)(C)C)cc3N(c3ccccc3)c3cc(C(C)(C)C)ccc32)c(C)c1
InChIInChI=1S/C36H40N/c1-23-19-24(2)33(25(3)20-23)34-29-17-15-26(35(4,5)6)21-31(29)37(28-13-11-10-12-14-28)32-22-27(36(7,8)9)16-18-30(32)34/h10-22H,1-9H3
InChIKeyXJXGKOMQVHNLAK-UHFFFAOYSA-N
MW486.72 g/mol
LogP10.01
Rot. Bonds2

About CID 140875355

CID 140875355 (PubChem CID 140875355) has the molecular formula C36H40N and a molecular weight of 486.72 g/mol.

Molecular Properties

Compound NameCID 140875355
PubChem CID140875355
Molecular FormulaC36H40N
Molecular Weight486.72 g/mol
Exact Mass486.32
IUPAC Name—
SMILESCc1cc(C)c([C]2c3ccc(C(C)(C)C)cc3N(c3ccccc3)c3cc(C(C)(C)C)ccc32)c(C)c1
InChIInChI=1S/C36H40N/c1-23-19-24(2)33(25(3)20-23)34-29-17-15-26(35(4,5)6)21-31(29)37(28-13-11-10-12-14-28)32-22-27(36(7,8)9)16-18-30(32)34/h10-22H,1-9H3
InChIKeyXJXGKOMQVHNLAK-UHFFFAOYSA-N
XLogP10.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.72
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 140875355?
The IUPAC name of CID 140875355 (CID 140875355) is not available.
What is the SMILES notation for CID 140875355?
The canonical SMILES for CID 140875355 is Cc1cc(C)c([C]2c3ccc(C(C)(C)C)cc3N(c3ccccc3)c3cc(C(C)(C)C)ccc32)c(C)c1.
What is the InChIKey of CID 140875355?
The InChIKey is XJXGKOMQVHNLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N/c1-23-19-24(2)33(25(3)20-23)34-29-17-15-26(35(4,5)6)21-31(29)37(28-13-11-10-12-14-28)32-22-27(36(7,8)9)16-18-30(32)34/h10-22H,1-9H3.
What are the key properties of CID 140875355?
CID 140875355 has a molecular weight of 486.72 g/mol, XLogP of 10.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140875355 is sourced from PubChem (CID 140875355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).